data_image0
_chemical_formula_structural       ZrSIZrISZrISZrSI
_chemical_formula_sum              "Zr4 S4 I4"
_cell_length_a       7.320424749007094
_cell_length_b       7.430031148595008
_cell_length_c       19.205055990405363
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.51320217012338

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Zr  Zr1       1.0  0.9999170905909321  0.9979195929224637  0.4998677294762251  1.0000
  S   S1        1.0  0.33306427878712846  0.1690050150278517  0.5720246846225359  1.0000
  I   I1        1.0  0.3336641461646223  0.16639261072632525  0.38981819910750576  1.0000
  Zr  Zr2       1.0  0.9999170945857894  0.4979195935225958  0.5001322602665979  1.0000
  I   I2        1.0  0.3336641434033709  0.6663926121902167  0.610181800806717  1.0000
  S   S2        1.0  0.3330642714425207  0.6690050189820371  0.4279753004764709  1.0000
  Zr  Zr3       1.0  0.49991708983081645  0.997919591878895  0.5001322605965847  1.0000
  I   I3        1.0  0.8336641393211415  0.16639260910095613  0.6101817958294152  1.0000
  S   S3        1.0  0.8330642617385109  0.16900502293179084  0.42797530464484107  1.0000
  Zr  Zr4       1.0  0.49991709114300265  0.49791959228925986  0.4998677301018594  1.0000
  S   S4        1.0  0.8330642718536101  0.6690050082709693  0.5720246842416795  1.0000
  I   I4        1.0  0.8336641440679652  0.6663926048960936  0.3898181989425634  1.0000